Time-related multivariate strategy for the comprehensive evaluation of microbial chemical data

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dc.contributor.authorSelegato, Denise M. [UNESP]
dc.contributor.authorFreitas, Thamires R.
dc.contributor.authorPivatto, Marcos
dc.contributor.authorPivatto, Amanda D.
dc.contributor.authorPilon, Alan C.
dc.contributor.authorCastro-Gamboa, Ian [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidade Federal de Uberlândia (UFU)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionEuropean Molecular Biology Laboratory (EMBL)
dc.date.accessioned2023-03-01T21:15:32Z
dc.date.available2023-03-01T21:15:32Z
dc.date.issued2022-06-01
dc.description.abstractIntroduction: In microbial metabolomics, the use of multivariate data analysis (MDVA) has not been comprehensively explored regarding the different techniques available and the information that each gives about the metabolome. To overcome these limitations, here we show the use of Fusarium oxysporum cultured in the presence of exogenous alkaloids as a model system to demonstrate a comprehensive strategy for metabolic profiling. Matherials and methods: F. oxysporum was harvested on different days of incubation after alkaloidal addition, and the chemical profiles were compared using LC–MS data and MDVA. We show significant innovation to evaluate the chemical production of microbes during their life cycle by utilizing the full capabilities of Partial Least Square (PLS) with microbial-specific modeling that considers incubation days, media culture availability, and growth rate in solid media. Results and Discusscion: Results showed that the treatment of the Y-data and the use of both PLS regression and discrimination (PLSr and PLS-DA) inferred complemental chemical information. PLSr revealed the metabolites that are produced/consumed during fungal growth, whereas PLS-DA focused on metabolites that are only consumed/produced at a specific period. Both regression and classificatory analysis were equally important to identify compounds that are regulated and/or selectively produced as a response to the presence of the alkaloids. Lastly, we report the annotation of analogs from the piperidine alkaloids biotransformed by F. oxysporum as a defense response to the toxic plant metabolites. These molecules do not show the antimicrobial potential of their precursors in the fungal extracts and were rapidly produced and consumed within 4 days of microbial growth.en
dc.description.affiliationNucleus of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Institute of Chemistry São Paulo State University, SP
dc.description.affiliationNúcleo de Pesquisa em Compostos Bioativos (NPCBio) Instituto de Química Universidade Federal de Uberlândia, MG
dc.description.affiliationNúcleo de Pesquisa em Produtos Naturais e Sintéticos (NPPNS) Faculdade de Ciências Farmacêuticas de Ribeirão Preto Universidade de São Paulo, SP
dc.description.affiliationZimmermann Group Structural and Computational Biology Unit European Molecular Biology Laboratory (EMBL)
dc.description.affiliationUnespNucleus of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Institute of Chemistry São Paulo State University, SP
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipFundação de Apoio ao Ensino, Pesquisa e Assistência do Hospital das Clínicas da Faculdade de Medicina de Ribeirão Preto da Universidade de São Paulo
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipIdFAPESP: 2013/07600-3
dc.description.sponsorshipIdFAPESP: 2014/05935-0
dc.description.sponsorshipIdFundação de Apoio ao Ensino, Pesquisa e Assistência do Hospital das Clínicas da Faculdade de Medicina de Ribeirão Preto da Universidade de São Paulo: 2014/50926-0
dc.description.sponsorshipIdFAPESP: 2017/06446-2
dc.description.sponsorshipIdCNPq: 449523/2014-4
dc.description.sponsorshipIdCNPq: 465637/2014-0
dc.identifierhttp://dx.doi.org/10.1007/s11306-022-01896-6
dc.identifier.citationMetabolomics, v. 18, n. 6, 2022.
dc.identifier.doi10.1007/s11306-022-01896-6
dc.identifier.issn1573-3890
dc.identifier.issn1573-3882
dc.identifier.scopus2-s2.0-85130693094
dc.identifier.urihttp://hdl.handle.net/11449/241663
dc.language.isoeng
dc.relation.ispartofMetabolomics
dc.sourceScopus
dc.subjectBiotransformation
dc.subjectDefense response
dc.subjectFusarium oxysporum
dc.subjectMicrobial-specific multivariate data analyses
dc.subjectPLS discriminant analysis
dc.subjectPLS regression
dc.subjectToxic piperidine alkaloids
dc.titleTime-related multivariate strategy for the comprehensive evaluation of microbial chemical dataen
dc.typeArtigo

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Artigos - Princípios Ativos Naturais e Toxicologia - FCFAR